3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one

C15H13FN4O3 — CID 110669930

IUPAC3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C1NCCN(C(=O)c2ccc(=O)[nH]n2)C1c1ccc(F)cc1
InChIInChI=1S/C15H13FN4O3/c16-10-3-1-9(2-4-10)13-14(22)17-7-8-20(13)15(23)11-5-6-12(21)19-18-11/h1-6,13H,7-8H2,(H,17,22)(H,19,21)
InChIKeyYPXJPTBOTNHTLS-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.22
Rot. Bonds2

About 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one

3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110669930) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110669930
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC Name3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C1NCCN(C(=O)c2ccc(=O)[nH]n2)C1c1ccc(F)cc1
InChIInChI=1S/C15H13FN4O3/c16-10-3-1-9(2-4-10)13-14(22)17-7-8-20(13)15(23)11-5-6-12(21)19-18-11/h1-6,13H,7-8H2,(H,17,22)(H,19,21)
InChIKeyYPXJPTBOTNHTLS-UHFFFAOYSA-N
XLogP0.22
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110669931
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 72885693
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
(3S)-4-(5-fluoro-1,3-dimethylindole-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
CID 99948880
3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one
CID 50951502
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110669930) is 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one is O=C1NCCN(C(=O)c2ccc(=O)[nH]n2)C1c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is YPXJPTBOTNHTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3/c16-10-3-1-9(2-4-10)13-14(22)17-7-8-20(13)15(23)11-5-6-12(21)19-18-11/h1-6,13H,7-8H2,(H,17,22)(H,19,21).
What are the key properties of 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 316.29 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110669930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).